John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6JW8duJ7zgg SpectraBase Spectrum ID=2Ae20NvohT3

(accessed ).
NEPETICIN
SpectraBase Compound ID 6JW8duJ7zgg
InChI InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey CTSXUIWIOTUWDC-HWCYQCNYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ae20NvohT3
Name 3-BETA,11-ALPHA-DIHYDROXY-LUP-20(29)-ENE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey CTSXUIWIOTUWDC-HWCYQCNYSA-N
Literature Reference Author V.G.RODRIGUES,L.P.DUARTE,G.D.F.SILVA,F.C.SILVA,J.V.GOES,J.A. TAKAHASHI
Literature Reference Citation QUIM.NOVA,35,1375(2012)
Literature Reference DOI 10.1590/s0100-40422012000700017
Molecular Weight 442.726 g/mol
Solvent CDCl3
Source File Reference UWIR12517
SpectraBase Batch ID 2guS43r49lq